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PubMed code 16257207

Compile data set for download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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6.90n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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9n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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12n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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12n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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14n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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18n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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27n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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29n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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31n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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32n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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37n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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39n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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54n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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72n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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77n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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78n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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86n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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115n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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136n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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138n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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168n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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171n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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181n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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210n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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229n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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230n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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380n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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398n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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455n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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515n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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624n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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674n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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739n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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778n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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842n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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883n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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927n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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1.16E+3n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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1.68E+3n/an/an/an/an/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human 5HT2A


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 97n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 75n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 638n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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n/an/an/an/a 219n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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n/an/an/an/a 257n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 359n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176268
PNG
((2-methyl-benzyl)-((S)-1-methyl-2-pyrrolo[2,3-f]qu...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1C
Show InChI InChI=1S/C22H23N3/c1-16-6-3-4-7-19(16)14-24-17(2)15-25-13-11-18-9-10-21-20(22(18)25)8-5-12-23-21/h3-13,17,24H,14-15H2,1-2H3/t17-/m0/s1
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n/an/an/an/a 128n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.5n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a 97n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a 348n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 297n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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n/an/an/an/a 222n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176269
PNG
((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C
Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1
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n/an/an/an/a 777n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176275
PNG
((S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quino...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show InChI InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a 128n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176266
PNG
((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 42n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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n/an/an/an/a 462n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176267
PNG
((S)-N-(naphthalen-2-ylmethyl)-1-(1H-pyrrolo[2,3-f]...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N3/c1-18(27-16-19-8-9-20-5-2-3-6-22(20)15-19)17-28-14-12-21-10-11-24-23(25(21)28)7-4-13-26-24/h2-15,18,27H,16-17H2,1H3/t18-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176265
PNG
((S)-1-(5-chloro-1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c12
Show InChI InChI=1S/C14H14ClN3/c1-9(16)8-18-6-4-10-7-12(15)13-11(14(10)18)3-2-5-17-13/h2-7,9H,8,16H2,1H3/t9-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.70n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176276
PNG
((S)-N-(2-methoxybenzyl)-1-(1H-pyrrolo[2,3-f]quinol...)
Show SMILES COc1ccccc1CN[C@@H](C)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C22H23N3O/c1-16(24-14-18-6-3-4-8-21(18)26-2)15-25-13-11-17-9-10-20-19(22(17)25)7-5-12-23-20/h3-13,16,24H,14-15H2,1-2H3/t16-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176271
PNG
((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1
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n/an/an/an/a 74n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 446n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50176270
PNG
((S)-1-(1H-pyrrolo[3,2-h]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ccncc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-12-3-2-11-4-6-16-8-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 473n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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n/an/an/an/a 131n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a 26n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176274
PNG
((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...)
Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176264
PNG
((S)-1-(1H-pyrrolo[3,2-h]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cccnc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-12-5-4-11-3-2-7-16-13(11)14(12)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 11n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50176273
PNG
((S)-1-(1H-pyrrolo[2,3-f]isoquinolin-1-yl)propan-2-...)
Show SMILES C[C@H](N)Cn1ccc2ccc3cnccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-7-5-11-2-3-12-8-16-6-4-13(12)14(11)17/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 152n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50176272
PNG
((S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-ami...)
Show SMILES C[C@H](N)Cn1ccc2ccc3ncccc3c12
Show InChI InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



Vernalis plc

Curated by ChEMBL


Assay Description
Binding to human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 677-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.029
BindingDB Entry DOI: 10.7270/Q2QV3M27
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%